Compound Detail
CHEMBL241823
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL241823 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNJDUQHDGFWNKK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
328.5
MW (Da)
3.48
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 8.32 | 8.32 | 4.8 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 7.44 | 7.44 | 36.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 7.11 | 7.11 | 78.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 4.8 | nM | 8.32 | Displacement of [3H]DAMGO from human mu opioid receptors expressed in CHO cell m... | 17276685 |
| Kappa-type opioid receptor | Ki | = | 36.0 | nM | 7.44 | Displacement of [3H]U-69593 from human kappa opioid receptors expressed in CHO c... | 17276685 |
| Delta-type opioid receptor | Ki | = | 78.0 | nM | 7.11 | Displacement of [3H]naltrindole from human delta opioid receptors expressed in C... | 17276685 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17276685 | 10.1016/j.bmcl.2007.01.013 | Kappa-type opioid receptor | 1 |
| 17276685 | 10.1016/j.bmcl.2007.01.013 | Delta-type opioid receptor | 1 |
| 17276685 | 10.1016/j.bmcl.2007.01.013 | Opioid receptors; mu & kappa | 1 |
| 17276685 | 10.1016/j.bmcl.2007.01.013 | Opioid receptors; delta & kappa | 1 |
| 17276685 | 10.1016/j.bmcl.2007.01.013 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine